2H Solid-State NMR of Mobile Protons: It Is Not Always the Simple Way
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- 作者：Young Joo Lee ; Tatiana Murakhtina ; Daniel Sebastiani ; Hans Wolfgang Spiess
- 刊名：Journal of the American Chemical Society
- 出版年：2007
- 出版时间：October 17, 2007
- 年：2007
- 卷：129
- 期：41
- 页码：12406 - 12407
- 全文大小：118K
- 年卷期：v.129,no.41(October 17, 2007)
- ISSN：1520-5126
文摘
A combined study of 2H line-shape analysis and ab initio molecular dynamics simulations was carried out on poly[vinyl phosphonic acid] (a water-free proton conducting material). We can elucidate the geometry and even time scale of the complex motional process, where dynamical proton motion occurs via the rearrangement of H-bonding networks, involving both intra- and interchain transfers.